2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-(3-methoxypropyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-(3-methoxypropyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-(3-methoxypropyl)-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[4-(2-methoxyphenyl)-1-piperazinyl]methyl]-4-(3-methoxypropyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-(3-methoxypropyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(2-methoxyphenyl)piperazino]methyl]-4-(3-methoxypropyl)-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C23H30N6O2S MolecularWeight: 454.5883

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=NN(C1=S)CN2CCN(CC2)C3=CC=CC=C3OC)C4=CC=NC=C4

Isomeric SMILES

COCCCN1C(=NN(C1=S)CN2CCN(CC2)C3=CC=CC=C3OC)C4=CC=NC=C4

InChI

InChI=1S/C23H30N6O2S/c1-30-17-5-12-28-22(19-8-10-24-11-9-19)25-29(23(28)32)18-26-13-15-27(16-14-26)20-6-3-4-7-21(20)31-2/h3-4,6-11H,5,12-18H2,1-2H3